(R)-2-Methyl­piperazine-1,4-diium diaqua­tetra­chloridoferrate(II)

Peng, C.-H.; Li, Y.-P.

doi:10.1107/S1600536810035506

Volume 66
Part 10
Page m1224
October 2010

Received 17 August 2010
Accepted 3 September 2010
Online 8 September 2010

Key indicators
Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.004 Å
R = 0.023
wR = 0.050
Data-to-parameter ratio = 19.8
Details

(R)-2-Methylpiperazine-1,4-diium diaquatetrachloridoferrate(II)

Cong-Hu Peng ^a ^* and Yun-Peng Li ^b

^aDepartment of Chemical and Environmental Engineering, Anyang Institute of Technology, Anyang 455000, People's Republic of China, and ^bAnyang Administration of Work Safety, Henan Province 455000, People's Republic of China
Correspondence e-mail: ayitpch@yahoo.com.cn

In the title salt, (C₅H₁₄N₂)[FeCl₄(H₂O)₂], the Fe^II cation is coordinated by four Cl^- anions and two water molecules in a distorted octahedral geometry. The piperazine ring adopts a normal chair conformation. Intermolecular N-HCl, N-H(Cl,Cl) and O-HCl hydrogen bonding is present in the crystal structure.

Related literature

For hydrogen bonding in metal-chlorido complexes, see: Brammer et al. (2001); Bremner & Harrison (2003); Kefi & Nasr (2005). For the crystal structure of a related compound, piperazindiium tetrachloridozincate(II), see: Sutherland & Harrison (2009).

Experimental

Crystal data

(C₅H₁₄N₂)[FeCl₄(H₂O)₂]
M_r = 335.86
Monoclinic, P 2₁
a = 8.6013 (17) Å
b = 6.4495 (13) Å
c = 12.024 (2) Å
= 101.64 (3)°
V = 653.3 (2) Å³
Z = 2
Mo K radiation
= 1.95 mm^-1
T = 291 K
0.28 × 0.24 × 0.20 mm

Data collection

Rigaku SCXmini diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.8, T_max = 0.9
6105 measured reflections
2558 independent reflections
2456 reflections with I > 2(I)
R_int = 0.025

Refinement

R[F² > 2(F²)] = 0.023
wR(F²) = 0.050
S = 1.08
2558 reflections
129 parameters
1 restraint
H-atom parameters constrained
_max = 0.19 e Å^-3
_min = -0.24 e Å^-3
Absolute structure: Flack (1983), 1156 Friedel pairs
Flack parameter: 0.010 (14)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1CCl2ⁱ	0.90	2.62	3.443 (2)	152
N1-H1CCl4ⁱ	0.90	2.81	3.379 (3)	122
N1-H1DCl4ⁱⁱ	0.90	2.28	3.169 (3)	167
N2-H2CCl1ⁱⁱⁱ	0.90	2.26	3.145 (3)	168
N2-H2DCl3	0.90	2.45	3.275 (2)	152
O1-H11Cl3^iv	0.82	2.33	3.147 (2)	173
O1-H12Cl3^v	0.89	2.24	3.127 (2)	176
O2-H21Cl2ⁱⁱⁱ	0.93	2.19	3.119 (2)	174
O2-H22Cl2^vi	0.86	2.31	3.1590 (18)	168
Symmetry codes: (i) x-1, y-1, z; (ii) x-1, y, z; (iii) x, y-1, z; (iv) $[-x+2, y+{\script{1\over 2}}, -z+1]$ ; (v) x, y+1, z; (vi) $[-x+2, y-{\script{1\over 2}}, -z+2]$ .

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5019 ).

Acknowledgements

This work was supported by a start-up grant from Anyang Institute of Technology, China.

References

Brammer, L., Bruton, E. A. & Sherwood, P. (2001). Cryst. Growth Des. 1, 277-290.
Bremner, C. A. & Harrison, W. T. A. (2003). Acta Cryst. E59, m425-m426.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Kefi, R. & Nasr, C. B. (2005). Z. Kristallogr. New Cryst. Struct. 220, 241.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sutherland, P. A. & Harrison, W. T. A. (2009). Acta Cryst. E65, m565.

metal-organic compounds